2-(4-methylbenzene-1-sulfonyl)-3-(9-methyl-4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
Chemical Structure Depiction of
2-(4-methylbenzene-1-sulfonyl)-3-(9-methyl-4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
2-(4-methylbenzene-1-sulfonyl)-3-(9-methyl-4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 6392-0613 |
| Compound Name: | 2-(4-methylbenzene-1-sulfonyl)-3-(9-methyl-4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C25 H19 N3 O4 S |
| Smiles: | CC1=CC=CN2C1=NC(=C(\C=C(/C#N)S(c1ccc(C)cc1)(=O)=O)C2=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0096 |
| logD: | 4.0096 |
| logSw: | -4.127 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.32 |
| InChI Key: | RDMQUIPPGAFFNH-UHFFFAOYSA-N |